SCHEMBL658601

SCHEMBL658601

CC(=O)OCOC(=O)C(COC(C)=O)(C(=O)O)C(CC(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MMP2 P08253 3/20 0.34
MMP3 P08254 3/20 0.34
MMP9 P14780 3/20 0.34
MMP13 P45452 2/20 0.34
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL658185 0.91 L3MBTL1 (0.39) PDPK1L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL656175 0.91 KMT2A (0.47) PDPK1L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657877 0.90 CYP2C9 (0.50) PDPK1L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657804 0.90 SRD5A2 (0.38) L3MBTL1POLBKMT2AMEN1MMP1
SCHEMBL658836 0.89 UTS2R (0.39) PDPK1L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657352 0.88 PDPK1 (0.47) PDPK1CYP2C9CYP2C19KMT2AMAPT
SCHEMBL659012 0.86 GLA (0.41) PDPK1POLBCYP2C19KMT2AMAPT
SCHEMBL656363 0.83 ALDH1A1 (0.45) L3MBTL1CYP2C19HPGD
SCHEMBL657976 0.80 PDPK1 (0.49) PDPK1L3MBTL1CYP2C9KMT2AHPGD
SCHEMBL658600 0.75 PDPK1 (0.48) PDPK1L3MBTL1POLBCYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB PDPK1 109/4885L3MBTL1 3302/4885POLB 4008/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.